Details
Stereochemistry | RACEMIC |
Molecular Formula | C18H26ClN3.H2O4S |
Molecular Weight | 417.951 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.CCN(CC)CCCC(C)NC1=CC=NC2=C1C=CC(Cl)=C2
InChI
InChIKey=OJPWHUOVKVKBQB-UHFFFAOYSA-N
InChI=1S/C18H26ClN3.H2O4S/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);(H2,1,2,3,4)
Molecular Formula | H2O4S |
Molecular Weight | 98.078 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C18H26ClN3 |
Molecular Weight | 319.872 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:55:48 UTC 2023
by
admin
on
Fri Dec 15 15:55:48 UTC 2023
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Record UNII |
OE48649K6N
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Record Status |
Validated (UNII)
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Record Version |
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-
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Code | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C271
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NCI_THESAURUS |
C471
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admin on Fri Dec 15 15:55:48 UTC 2023 , Edited by admin on Fri Dec 15 15:55:48 UTC 2023
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m3435
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PRIMARY | Merck Index | ||
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203119
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SUB01240MIG
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205-077-6
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292296
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100000090551
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3638
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50178
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132-73-0
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DBSALT002244
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OE48649K6N
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C78058
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91441
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Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT |
Molecular formula. C18H26ClN3,H2SO4,H2O
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PARENT -> SALT/SOLVATE | |||
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SOLVATE->ANHYDROUS | |||
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ENANTIOMER -> RACEMATE | |||
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ENANTIOMER -> RACEMATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |